==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-OCT-05 2EUP . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.BRENK,S.W.VETTER,S.E.BOYCE,D.B.GOODIN,B.K.SHOICHET . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 3 1 0 0 2 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A T 0 0 175 0, 0.0 2,-0.4 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 151.7 -11.3 99.9 37.6 2 4 A L - 0 0 78 57,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.580 360.0-174.7 -75.4 120.7 -11.4 96.1 38.5 3 5 A V - 0 0 86 -2,-0.4 2,-0.6 2,-0.0 269,-0.1 -0.965 13.2-162.8-119.1 138.0 -8.1 94.8 39.8 4 6 A H E -a 272 0A 25 267,-0.5 269,-3.1 -2,-0.4 2,-0.5 -0.906 11.6-164.6-121.3 99.9 -7.3 91.2 40.6 5 7 A V E -a 273 0A 69 -2,-0.6 269,-0.2 267,-0.2 2,-0.1 -0.744 23.7-118.8 -90.4 125.9 -4.3 90.9 42.9 6 8 A A - 0 0 10 267,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.419 30.7-170.4 -59.5 133.5 -2.7 87.4 43.1 7 9 A S - 0 0 74 120,-2.3 120,-0.2 -2,-0.1 3,-0.1 -0.969 22.3-126.1-134.5 108.5 -2.8 86.2 46.7 8 10 A V - 0 0 53 -2,-0.4 3,-0.1 118,-0.1 121,-0.0 -0.330 36.0 -99.2 -57.0 132.3 -0.8 83.0 47.6 9 11 A E > - 0 0 19 1,-0.2 3,-2.4 2,-0.1 -1,-0.1 -0.299 62.1 -86.9 -53.6 129.1 -3.0 80.3 49.2 10 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.197 104.8 -2.3 -61.2 125.0 -2.0 80.9 52.8 11 13 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.433 99.0 131.6 83.9 2.3 1.1 79.0 53.9 12 14 A R < + 0 0 87 -3,-2.4 -1,-0.3 87,-0.1 2,-0.2 -0.621 28.6 175.9 -96.9 146.6 1.7 77.2 50.6 13 15 A S >> - 0 0 52 -2,-0.3 4,-1.6 -3,-0.1 3,-1.1 -0.764 50.3 -72.9-132.6-177.6 4.9 77.0 48.7 14 16 A Y H 3> S+ 0 0 55 1,-0.3 4,-2.5 -2,-0.2 3,-0.2 0.867 125.6 55.9 -45.5 -49.7 6.3 75.4 45.5 15 17 A E H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.844 104.0 54.1 -57.6 -38.2 6.3 71.9 47.1 16 18 A D H <> S+ 0 0 34 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.917 111.5 44.9 -61.9 -43.8 2.6 72.0 47.9 17 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.870 107.1 58.6 -71.4 -33.1 1.8 72.9 44.2 18 20 A Q H X S+ 0 0 8 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.862 103.1 54.5 -61.0 -35.2 4.2 70.2 43.0 19 21 A K H X S+ 0 0 125 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.882 108.6 47.7 -65.6 -36.1 2.0 67.7 45.0 20 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.953 111.4 50.8 -69.3 -47.8 -1.1 69.0 43.1 21 23 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.927 110.2 50.7 -48.7 -50.7 0.8 68.7 39.8 22 24 A N H X S+ 0 0 19 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.892 107.9 51.3 -62.5 -39.9 1.7 65.1 40.7 23 25 A A H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.938 112.3 46.7 -63.6 -42.2 -1.8 64.1 41.6 24 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 114.5 47.9 -60.2 -48.4 -3.1 65.5 38.2 25 27 A A H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.859 110.2 50.6 -64.6 -38.7 -0.2 63.7 36.4 26 28 A L H X S+ 0 0 75 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.891 112.1 47.7 -67.3 -40.2 -0.8 60.4 38.2 27 29 A K H X S+ 0 0 47 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.853 108.2 55.1 -68.2 -36.0 -4.5 60.5 37.3 28 30 A L H < S+ 0 0 23 -4,-2.2 12,-0.2 2,-0.2 -1,-0.2 0.889 109.8 47.6 -57.7 -44.5 -3.7 61.4 33.7 29 31 A R H < S+ 0 0 131 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.925 115.1 45.8 -64.1 -43.6 -1.5 58.2 33.6 30 32 A E H < S+ 0 0 136 -4,-2.1 2,-1.6 1,-0.2 3,-0.2 0.891 105.6 57.7 -66.8 -42.6 -4.3 56.1 35.1 31 33 A D >< + 0 0 41 -4,-2.7 3,-0.7 1,-0.2 9,-0.4 -0.353 64.4 140.0 -92.3 58.2 -7.2 57.3 33.0 32 34 A D T 3 + 0 0 96 -2,-1.6 -1,-0.2 -3,-0.4 -2,-0.1 0.558 56.5 66.1 -86.1 -4.1 -5.8 56.4 29.7 33 35 A E T 3> + 0 0 129 -3,-0.2 4,-2.1 5,-0.1 3,-0.4 0.648 69.8 122.8 -89.2 -16.3 -8.9 55.0 28.0 34 36 A Y H <>>S+ 0 0 46 -3,-0.7 5,-2.6 1,-0.2 4,-1.0 -0.127 79.3 6.0 -54.1 133.7 -10.8 58.3 27.9 35 37 A D H >45S- 0 0 36 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.941 140.2 -45.8 60.0 58.4 -11.9 59.4 24.5 36 38 A N H 345S- 0 0 141 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.919 115.5 -47.3 46.9 51.9 -10.9 56.3 22.6 37 39 A Y H 3<5S+ 0 0 152 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.569 109.7 114.9 74.1 14.6 -7.5 56.2 24.3 38 40 A I T <<5 - 0 0 15 -4,-1.0 3,-0.3 -3,-0.9 -3,-0.2 0.876 67.0-146.2 -72.5 -35.8 -6.5 59.8 23.9 39 41 A G < - 0 0 8 -5,-2.6 4,-0.3 1,-0.2 -7,-0.1 -0.236 30.2 -70.6 84.2 174.6 -6.6 60.4 27.6 40 42 A Y S > S+ 0 0 41 -9,-0.4 4,-1.9 -12,-0.2 5,-0.2 0.432 102.1 98.8 -84.2 -1.0 -7.6 63.5 29.5 41 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.942 84.4 44.2 -54.9 -56.9 -4.5 65.6 28.5 42 44 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.916 111.7 50.9 -56.3 -46.3 -6.1 67.5 25.6 43 45 A V H > S+ 0 0 19 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.866 109.4 53.1 -66.7 -28.8 -9.4 68.3 27.4 44 46 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.860 108.1 49.6 -70.2 -34.9 -7.4 69.7 30.3 45 47 A V H X S+ 0 0 8 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.926 112.2 48.5 -65.9 -44.6 -5.4 72.0 28.0 46 48 A R H X S+ 0 0 97 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.910 109.6 52.6 -63.1 -38.5 -8.7 73.2 26.5 47 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.946 108.4 49.7 -61.7 -47.3 -10.3 73.8 29.9 48 50 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.877 114.2 46.2 -61.6 -37.4 -7.3 75.9 31.0 49 51 A W H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 3,-0.4 0.931 112.1 49.2 -70.2 -44.9 -7.6 78.0 27.8 50 52 A H H < S+ 0 0 3 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.831 109.0 51.8 -68.8 -29.0 -11.4 78.4 28.0 51 53 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.790 119.2 38.7 -74.7 -23.9 -11.3 79.6 31.6 52 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.4 -2,-0.2 0.753 103.0 69.2 -89.4 -32.2 -8.7 82.2 30.5 53 55 A G T 3< S+ 0 0 0 -4,-2.5 -2,-0.1 1,-0.3 -3,-0.1 0.457 80.7 75.0 -78.9 -3.8 -10.1 83.2 27.1 54 56 A T T 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.455 71.8 123.4 -76.3 -7.6 -13.2 85.0 28.6 55 57 A W < - 0 0 28 -3,-1.5 2,-0.5 7,-0.2 7,-0.2 -0.282 47.2-160.3 -59.5 140.4 -10.8 87.8 29.6 56 58 A D B >>> -B 61 0B 32 5,-2.0 4,-2.0 1,-0.1 3,-1.0 -0.968 7.9-158.9-123.5 113.1 -11.6 91.3 28.3 57 59 A K T 345S+ 0 0 72 101,-1.7 -1,-0.1 -2,-0.5 102,-0.1 0.717 86.9 67.4 -61.8 -21.5 -8.7 93.7 28.4 58 60 A H T 345S+ 0 0 141 1,-0.2 -1,-0.2 100,-0.1 100,-0.0 0.817 124.0 5.6 -75.9 -30.7 -11.0 96.7 28.3 59 61 A D T <45S- 0 0 69 -3,-1.0 -57,-0.4 2,-0.1 -2,-0.2 0.329 94.7-117.0-133.1 8.0 -12.5 96.2 31.7 60 62 A N T <5 + 0 0 24 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.722 63.6 146.9 58.9 25.1 -10.5 93.3 33.2 61 63 A T B < +B 56 0B 37 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.555 50.2 8.9 -85.2 158.7 -13.6 91.1 33.4 62 64 A G S S+ 0 0 12 73,-0.5 3,-0.3 -7,-0.2 -7,-0.2 -0.324 72.4 121.9 70.0-155.3 -13.4 87.3 32.9 63 65 A G S S- 0 0 3 1,-0.2 3,-0.4 -13,-0.2 5,-0.3 -0.133 78.8 -64.6 81.0 176.3 -10.0 85.5 32.8 64 66 A S S > S+ 0 0 1 206,-0.4 3,-1.1 203,-0.3 -1,-0.2 0.684 107.5 87.1 -71.4 -21.8 -8.7 82.7 34.9 65 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 -3,-0.3 64,-0.3 0.864 87.0 44.4 -54.8 -48.2 -8.5 84.6 38.2 66 68 A G T 3 S- 0 0 5 -3,-0.4 65,-2.0 -4,-0.2 -1,-0.2 0.537 90.6-134.0 -83.3 -6.7 -12.0 84.0 39.6 67 69 A G X + 0 0 3 -3,-1.1 3,-1.6 -4,-0.2 -2,-0.1 0.805 48.5 155.4 63.3 29.9 -12.5 80.4 38.9 68 70 A T G > + 0 0 7 -5,-0.3 3,-2.2 1,-0.3 6,-0.4 0.588 47.6 87.0 -76.5 -8.2 -15.9 81.2 37.7 69 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.754 77.6 72.3 -56.2 -23.8 -16.2 78.1 35.4 70 72 A R G < S+ 0 0 76 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.633 83.9 84.8 -67.6 -12.9 -17.5 76.4 38.6 71 73 A F S X> S- 0 0 32 -3,-2.2 4,-2.6 1,-0.1 3,-0.8 -0.715 88.0-120.3 -95.2 145.2 -20.8 78.4 38.2 72 74 A K H 3> S+ 0 0 138 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.801 105.7 61.8 -55.8 -37.7 -23.6 77.2 35.9 73 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.935 117.2 30.8 -56.7 -44.4 -23.7 80.2 33.6 74 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.5 -6,-0.4 -2,-0.2 0.895 116.1 56.7 -82.0 -42.8 -20.1 79.5 32.4 75 77 A F H 3< S+ 0 0 48 -4,-2.6 -2,-0.2 -7,-0.3 -3,-0.2 0.870 112.5 45.2 -53.5 -36.5 -20.1 75.7 32.9 76 78 A N T 3< S+ 0 0 101 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.320 78.1 130.8 -95.8 4.6 -23.1 75.6 30.5 77 79 A D X - 0 0 10 -3,-1.5 3,-1.8 1,-0.2 4,-0.2 -0.401 63.3-132.7 -51.1 125.9 -21.8 78.0 27.9 78 80 A P G > S+ 0 0 98 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.841 107.8 63.3 -53.2 -32.0 -22.3 76.2 24.6 79 81 A S G 3 S+ 0 0 35 1,-0.2 -2,-0.1 63,-0.0 -3,-0.0 0.705 101.7 52.3 -61.8 -22.6 -18.6 77.1 23.7 80 82 A N G X S+ 0 0 1 -3,-1.8 3,-2.4 -6,-0.2 4,-0.4 0.267 74.8 141.4 -98.3 9.1 -17.6 75.0 26.7 81 83 A A T < S+ 0 0 27 -3,-1.4 -5,-0.1 1,-0.3 101,-0.1 -0.353 72.7 21.9 -57.4 126.2 -19.5 71.8 25.7 82 84 A G T > S+ 0 0 7 -2,-0.1 3,-1.6 99,-0.1 4,-0.4 -0.004 93.8 99.4 103.1 -24.8 -17.3 68.8 26.5 83 85 A L T X> + 0 0 0 -3,-2.4 4,-2.2 1,-0.3 3,-0.7 0.709 62.3 81.3 -70.2 -17.5 -15.2 70.6 29.2 84 86 A Q H 3> S+ 0 0 55 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.801 85.2 62.1 -53.1 -30.7 -17.4 69.0 31.9 85 87 A N H <> S+ 0 0 57 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.903 104.4 45.6 -61.2 -42.9 -15.2 65.9 31.4 86 88 A G H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.4 -2,-0.2 0.890 111.9 52.1 -66.9 -41.7 -12.1 67.9 32.5 87 89 A F H X S+ 0 0 44 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.930 109.5 48.9 -59.8 -47.2 -14.0 69.4 35.4 88 90 A K H < S+ 0 0 132 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.882 109.1 53.9 -62.6 -38.3 -15.0 65.9 36.6 89 91 A F H < S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.920 110.6 46.6 -57.3 -44.7 -11.4 64.7 36.2 90 92 A L H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.667 90.6 85.7 -77.1 -15.7 -10.2 67.5 38.5 91 93 A E H X S+ 0 0 107 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.906 91.1 44.5 -54.3 -52.9 -12.9 66.9 41.1 92 94 A P H > S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.813 111.7 55.4 -63.3 -27.0 -11.0 64.3 43.1 93 95 A I H > S+ 0 0 6 -4,-0.5 4,-1.8 -3,-0.3 -2,-0.2 0.926 107.6 47.8 -68.2 -45.1 -7.9 66.4 42.8 94 96 A H H < S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.880 109.5 54.1 -63.4 -35.7 -9.6 69.3 44.4 95 97 A K H < S+ 0 0 178 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 109.8 47.4 -63.8 -37.2 -11.0 67.0 47.2 96 98 A E H < S+ 0 0 127 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 126.8 28.0 -72.5 -32.2 -7.4 65.9 47.9 97 99 A F >< + 0 0 21 -4,-1.8 3,-1.6 -5,-0.1 -1,-0.3 -0.637 68.4 163.8-128.2 68.8 -6.1 69.5 48.0 98 100 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.719 67.6 72.6 -66.5 -15.3 -9.1 71.6 49.0 99 101 A W T 3 S+ 0 0 60 -3,-0.1 2,-0.2 2,-0.0 -89,-0.1 0.684 77.4 93.7 -71.5 -21.4 -6.8 74.6 49.8 100 102 A I S < S- 0 0 3 -3,-1.6 -3,-0.1 -6,-0.2 2,-0.0 -0.497 80.0-117.0 -75.6 141.6 -6.1 75.3 46.1 101 103 A S > - 0 0 12 27,-0.2 4,-2.3 -2,-0.2 5,-0.1 -0.335 20.6-117.6 -71.6 157.4 -8.3 77.9 44.4 102 104 A S H > S+ 0 0 8 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.929 115.1 49.2 -60.9 -46.9 -10.5 76.9 41.4 103 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.889 111.7 48.9 -60.6 -42.0 -8.6 79.1 39.0 104 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -1,-0.2 0.929 113.4 48.0 -62.6 -41.6 -5.2 77.8 40.1 105 107 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.944 113.0 46.1 -66.4 -46.5 -6.5 74.2 39.8 106 108 A F H X S+ 0 0 3 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.915 117.4 43.7 -65.1 -44.2 -8.0 74.7 36.3 107 109 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 3,-0.3 0.921 111.8 52.8 -66.4 -43.2 -4.9 76.5 35.0 108 110 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.844 101.5 62.1 -61.0 -34.9 -2.5 74.1 36.6 109 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.921 105.1 46.9 -57.0 -42.0 -4.4 71.2 34.9 110 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.914 112.3 48.3 -65.4 -43.8 -3.4 72.6 31.6 111 113 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.936 112.9 49.2 -60.8 -45.8 0.2 73.2 32.5 112 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.920 110.1 51.3 -60.8 -46.1 0.4 69.6 33.9 113 115 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 6,-0.2 0.940 109.5 48.7 -58.1 -47.8 -1.2 68.2 30.7 114 116 A V H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 82,-0.2 0.938 115.5 44.0 -59.3 -46.2 1.2 69.9 28.4 115 117 A Q H ><5S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.895 112.2 51.0 -67.8 -40.8 4.3 68.8 30.3 116 118 A E H 3<5S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 104.3 59.2 -71.4 -22.2 3.1 65.2 30.8 117 119 A M T 3<5S- 0 0 15 -4,-1.9 79,-2.9 -5,-0.2 -1,-0.3 0.165 128.4 -99.4 -87.8 19.0 2.5 65.0 27.1 118 120 A Q T < 5S+ 0 0 115 -3,-1.5 -3,-0.2 77,-0.2 -2,-0.2 0.661 79.8 138.3 71.6 23.8 6.2 65.8 26.5 119 121 A G < - 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